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Sodium (1R,2S,5S)-2-hydr-oxy-6,6-dimethyl-bicyclo-[3.1.1]heptane-2-carboxyl-ate penta-hydrate.

ABSTRACT: In the title compound, Na(+)·C(10)H(15)O(3) (-)·5H(2)O, the vertices of a distorted octa-hedron centred on the Na(+) cation are defined by six O atoms of water mol-ecules. The edge-sharing Na(H(2)O)(6) octa-hedra form a chain extended along the b-axis direction with adjacent Na(+) cations related by a twofold screw symmetry operation. The organic anion, which is not in close contact with the Na(+ )cation, is hydrogen-bonded to an uncoordinated water mol-ecule and to water mol-ecules of the Na(H(2)O)(6) octa-hedra.

SUBMITTER: Ma SY

PROVIDER: S-EPMC2914966 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Hydr-oxy-6,6-dimethyl-bicyclo-[3.1.1]heptane-2-carboxylic acid.

Project description:The title compound, C(10)H(16)O(3), with a bicyclo-[3.1.1]heptane unit, was obtained by oxidation of ?-pinene. The asymmetric unit contains two independent mol-ecules with similar geometry: the six-membered rings in both mol-ecules adopt envelope conformations. In the crystal, the independent mol-ecules exist as O-H?O hydrogen-bonded dimers. The dimers are linked into helical chains along the b axis by O-H?O hydrogen bonds.

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Project description:In the crystal structure of the title compound, C(13)H(16)N(2)O(4)·H(2)O, inter-molecular N-H?O, O-H?O and O-H?N hydrogen bonds form an extensive three-dimensional network, consolidating the crystal packing. The cyclo-hexane ring adopts a chair conformation.

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N,N,2,5,7-Penta-phenyl-2,5,7-triaza-bicyclo-[2.2.1]heptane-3,6-diamine.

Project description:In the title compound, C(34)H(31)N(5), the observed molecular geometry suggests that anomeric effects are present in terms of short C-N bond lengths and reduced pyramidality of the N atoms.

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Project description:In the racemic title compound, C(14)H(16)N(2), the aromatic ring component of the amino-indoline system occupies the endo cavity of the norbornane component. The aromatic ring lies at an angle of 74.12 (5)° to the plane defined by the four C atoms that comprises the rigid part of the boat-shaped six-membered ring of the norbornane unit. Pairs of mol-ecules assemble in the crystal structure, forming centrosymmetric hydrogen-bonded dimers via pairs of N-H⋯N hydrogen bonds through the syn H atom of the amine group.

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Project description:A route toward heterocycle-functionalized bicyclo[3.1.1]heptanes (BCHeps) and aza-bicyclo[3.1.1]heptanes (aza-BCHeps) has been developed, using mild, photocatalytic Minisci-like conditions to introduce various heterocycles at the bridgehead position from readily available N-hydroxyphthalimide esters of the corresponding carboxylic acids. This chemistry enables access to heterocycle-functionalized BCHep-containing structures that are highly relevant in medicinal chemistry research as potential bioisosteres of meta-substituted arenes and pyridines.

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(1R,2S)-Methyl 1-(4-chloro-phen-yl)-3-oxo-1,2,3,4-tetra-hydro-cyclo-penta-[b]indole-2-carboxyl-ate 0.2-hydrate.

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(1R,4R,7S)-1,7-Dimethyl-7-(phenyl-sulfonyl-meth-yl)spiro-[bicyclo-[2.2.1]heptane-2,2'-1,3-dioxolane].

Project description:In the title compound, C(18)H(24)O(4)S, the chiral bicyclo-[2.2.1]heptane group is not symmetrical due to the influence of the substituents. The angle between the three-atom bridge plane and the four-atom planes of the boat-shaped six-membered ring are 55.07?(19) and 56.24?(19)°. The bridgehead angle is 92.75?(17)°.

| S-EPMC2915015 | biostudies-literature

(1R*,5S*)-8-(2-Fluoro-4-nitro-phen-yl)-8-aza-bicyclo-[3.2.1]octan-3-one.

Project description:In the title compound, C(13)H(13)FN(2)O(3), the fused piperidine ring is in a chair conformation. The fused pyrrolidine ring shows an envelope conformation with the N atom displaced by 0.661 (3) Å out of the plane formed by the four C atoms of the pyrrolidine ring. The dihedral angle between this plane and the plane formed by the four attached C atoms of the piperidine ring (not including the carbonyl C atom) is 67.63 (10)°. The F atom is disordered and was refined using a split model with an occupancy ratio of 0.910 (3): 0.080 (3).

| S-EPMC3238950 | biostudies-literature

(1R,2R,3R,4R,5S)-2,3-Bis[(2S')-2-acet-oxy-2-phenyl-acet-oxy]-4-azido-1-[(2,4-dinitro-phen-yl)hydrazono-meth-yl]bicyclo-[3.1.0]hexa-ne.

Project description:In the title compound, C(38)H(29)N(7)O(12), the five-membered ring adopts an envelope conformation in which the 'flap' is cis to the cyclo-propane group. This conformation is similar to those of other bicyclo-[3.1.0]hexane analogues for which crystal structures have been reported. The absolute configuration of the stereogenic centers on the cyclo-pentane ring, as determined by comparison with the known configurations of the stereogenic centers in the (2S)-2-acet-oxy-2-phenyl-acet-oxy groups, is 1(R), 2(R), 3(R), 4(R) and 5(S). An intramolecular N-H⋯O hydrogen bond is present.

| S-EPMC2960152 | biostudies-literature

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